Geometry & MOs

Info

ID:	212282
PubChem CID:	81060008
Reduced:	N3C14H21 (1)
Stoich.:	A3B14C21 (1)
Weight, g/mol:	358.981752
ΔH_f, kcal/mol:	7.2
Dipole, Da:	5.27
IP(EA), eV:	-9.1(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CCCCC(C)NC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations